8017-5715 Screening compound: {4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-3-nitrophenyl}(morpholino)methanone
Chemical Structure Depiction of ChemDiv screening compound 8017-5715
{4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-3-nitrophenyl}(morpholino)methanone
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
8017-5715
Molecular Formula
C23H26N4O8S (C23 H26 N4 O8 S)
Compound Name
{4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-3-nitrophenyl}(morpholino)methanone
IUPAC name
4-{4-[4-(23-dihydro-14-benzodioxine-6-sulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine
SMILES
[O-][N+](c(cc(cc1)C(N2CCOCC2)=O)c1N(CC1)CCN1S(c(cc1)cc2c1OCCO2)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
518.55
Hydrogen Bond Acceptors Count
14.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
0.747
Distribution Coefficient, logD
0.747
Water Solubility, LogSw
-2.37
Polar Surface Area
108.369
Acid Dissociation Constant (pKa)
27.94
Base Dissociation Constant (pKb)
-3.61
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
43.48
8017-5715 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8017-5715 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)